2-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5,6-bis(3-fluoranyl-4-methoxy-phenyl)pyridazin-3-one

Systemtic Name: 2-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5,6-bis(3-fluoranyl-4-methoxy-phenyl)pyridazin-3-one Openeye Name: 2-[(E)-3-(4-chlorophenyl)allyl]-5,6-bis(3-fluoro-4-methoxy-phenyl)pyridazin-3-one CAS Name: 2-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5,6-bis(3-fluoro-4-methoxyphenyl)-3-pyridazinone IUPAC Name: 2-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5,6-bis(3-fluoro-4-methoxyphenyl)pyridazin-3-one Traditional Name: 2-[(E)-3-(4-chlorophenyl)allyl]-5,6-bis(3-fluoro-4-methoxy-phenyl)pyridazin-3-one Formula: C27H21ClF2N2O3 MolecularWeight: 494.917046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=O)N(N=C2C3=CC(=C(C=C3)OC)F)CC=CC4=CC=C(C=C4)Cl)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=O)N(N=C2C3=CC(=C(C=C3)OC)F)C/C=C/C4=CC=C(C=C4)Cl)F

InChI

InChI=1S/C27H21ClF2N2O3/c1-34-24-11-7-18(14-22(24)29)21-16-26(33)32(13-3-4-17-5-9-20(28)10-6-17)31-27(21)19-8-12-25(35-2)23(30)15-19/h3-12,14-16H,13H2,1-2H3/b4-3+